2-(ethylamino)-7-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

C14H14FN3OS — CID 42647675

IUPAC2-(ethylamino)-7-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCCNc1nc2c(s1)C(c1cccc(F)c1)CC(=O)N2
InChIInChI=1S/C14H14FN3OS/c1-2-16-14-18-13-12(20-14)10(7-11(19)17-13)8-4-3-5-9(15)6-8/h3-6,10H,2,7H2,1H3,(H,16,18)(H,17,19)
InChIKeyBARILRXGIHVAKW-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.19
Rot. Bonds3

About 2-(ethylamino)-7-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one

2-(ethylamino)-7-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 42647675) has the molecular formula C14H14FN3OS and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(ethylamino)-7-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name2-(ethylamino)-7-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID42647675
Molecular FormulaC14H14FN3OS
Molecular Weight291.35 g/mol
Exact Mass291.08
IUPAC Name2-(ethylamino)-7-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCCNc1nc2c(s1)C(c1cccc(F)c1)CC(=O)N2
InChIInChI=1S/C14H14FN3OS/c1-2-16-14-18-13-12(20-14)10(7-11(19)17-13)8-4-3-5-9(15)6-8/h3-6,10H,2,7H2,1H3,(H,16,18)(H,17,19)
InChIKeyBARILRXGIHVAKW-UHFFFAOYSA-N
XLogP3.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-7-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of 2-(ethylamino)-7-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 42647675) is 2-(ethylamino)-7-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 2-(ethylamino)-7-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 2-(ethylamino)-7-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is CCNc1nc2c(s1)C(c1cccc(F)c1)CC(=O)N2.
What is the InChIKey of 2-(ethylamino)-7-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is BARILRXGIHVAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3OS/c1-2-16-14-18-13-12(20-14)10(7-11(19)17-13)8-4-3-5-9(15)6-8/h3-6,10H,2,7H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 2-(ethylamino)-7-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one?
2-(ethylamino)-7-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 291.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-7-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 42647675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).